tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)

C72H149N7 — CID 159030381

IUPACtris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)
SMILESCC(C)C.CC(C)C.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/3C16H31N.2C8H18N2.2C4H10/c3*1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;2*1-8(2)10-6-4-9(3)5-7-10;2*1-4(2)3/h3*13-16H,4-12H2,1-3H3;2*8H,4-7H2,1-3H3;2*4H,1-3H3
InChIKeyJUUSIOTULHYTAK-UHFFFAOYSA-N
MW1113.03 g/mol
LogP17.58
Rot. Bonds11

About tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)

tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine) (PubChem CID 159030381) has the molecular formula C72H149N7 and a molecular weight of 1113.03 g/mol. Its IUPAC name is tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine).

Molecular Properties

Compound Nametris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)
PubChem CID159030381
Molecular FormulaC72H149N7
Molecular Weight1113.03 g/mol
Exact Mass1112.19
IUPAC Nametris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)
SMILESCC(C)C.CC(C)C.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/3C16H31N.2C8H18N2.2C4H10/c3*1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;2*1-8(2)10-6-4-9(3)5-7-10;2*1-4(2)3/h3*13-16H,4-12H2,1-3H3;2*8H,4-7H2,1-3H3;2*4H,1-3H3
InChIKeyJUUSIOTULHYTAK-UHFFFAOYSA-N
XLogP17.58
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001113.03
LogP ≤ 517.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 57831551
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CID 67223616
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CID 135279336
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(4S)-4-methyl-2-[(4R)-4-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]-1-(1-methylpiperidin-4-yl)piperidine
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Potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
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N,N,N',N'-tetracyclohexylbutane-1,4-diamine;N,N,N',N'-tetracyclohexyldecane-1,10-diamine;N,N,N',N'-tetracyclohexyldodecane-1,12-diamine;N,N,N',N'-tetracyclohexylethane-1,2-diamine;N,N,N',N'-tetracyclohexylhexane-1,6-diamine;2,2,6,6-tetramethyl-1-[4-(2,2,6,6-tetramethylpiperidin-1-yl)butyl]piperidine;2,2,6,6-tetramethyl-1-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)?
The IUPAC name of tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine) (CID 159030381) is tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine).
What is the SMILES notation for tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)?
The canonical SMILES for tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine) is CC(C)C.CC(C)C.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1.CC1CCC(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)?
The InChIKey is JUUSIOTULHYTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H31N.2C8H18N2.2C4H10/c3*1-13(2)17-10-8-16(9-11-17)12-15-6-4-14(3)5-7-15;2*1-8(2)10-6-4-9(3)5-7-10;2*1-4(2)3/h3*13-16H,4-12H2,1-3H3;2*8H,4-7H2,1-3H3;2*4H,1-3H3.
What are the key properties of tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine)?
tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine) has a molecular weight of 1113.03 g/mol, XLogP of 17.58, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-[(4-methylcyclohexyl)methyl]-1-propan-2-ylpiperidine);bis(2-methylpropane);bis(1-methyl-4-propan-2-ylpiperazine) is sourced from PubChem (CID 159030381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).