1-tert-butyl-4-(cyclohexylmethyl)piperazine

C15H30N2 — CID 157130217

IUPAC1-tert-butyl-4-(cyclohexylmethyl)piperazine
SMILESCC(C)(C)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3
InChIKeyURRLYXRORVDPBH-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.98
Rot. Bonds2

About 1-tert-butyl-4-(cyclohexylmethyl)piperazine

1-tert-butyl-4-(cyclohexylmethyl)piperazine (PubChem CID 157130217) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-tert-butyl-4-(cyclohexylmethyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(cyclohexylmethyl)piperazine
PubChem CID157130217
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-tert-butyl-4-(cyclohexylmethyl)piperazine
SMILESCC(C)(C)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3
InChIKeyURRLYXRORVDPBH-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[[(3R)-1-tert-butylpiperidin-3-yl]methyl]piperazine
CID 156550929
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
1-tert-butyl-4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazine
CID 156551482
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 99639323
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 118531626
1-tert-butyl-4-[[1-[2,5-dimethyl-5-[4-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]piperazin-1-yl]hexan-2-yl]piperidin-4-yl]methyl]piperazine
CID 170018752
1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
CID 86661984
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(cyclohexylmethyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(cyclohexylmethyl)piperazine (CID 157130217) is 1-tert-butyl-4-(cyclohexylmethyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(cyclohexylmethyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(cyclohexylmethyl)piperazine is CC(C)(C)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(cyclohexylmethyl)piperazine?
The InChIKey is URRLYXRORVDPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2,3)17-11-9-16(10-12-17)13-14-7-5-4-6-8-14/h14H,4-13H2,1-3H3.
What are the key properties of 1-tert-butyl-4-(cyclohexylmethyl)piperazine?
1-tert-butyl-4-(cyclohexylmethyl)piperazine has a molecular weight of 238.42 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(cyclohexylmethyl)piperazine is sourced from PubChem (CID 157130217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).