1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine

C19H38N2O — CID 175636192

IUPAC1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine
SMILESCOC1CCC(C[C@@H](C)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)21-13-11-20(12-14-21)10-9-17(3)15-18-5-7-19(22-4)8-6-18/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m0/s1
InChIKeyFRTIMJCAAJZWDI-VIQWUECVSA-N
MW310.53 g/mol
LogP3.63
Rot. Bonds7

About 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine

1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine (PubChem CID 175636192) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine
PubChem CID175636192
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine
SMILESCOC1CCC(C[C@@H](C)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N2O/c1-16(2)21-13-11-20(12-14-21)10-9-17(3)15-18-5-7-19(22-4)8-6-18/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m0/s1
InChIKeyFRTIMJCAAJZWDI-VIQWUECVSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]-4-propan-2-ylpiperazine
CID 170375311
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
CID 175636165
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108
2-ethoxy-4-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 63069699
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
1-[3-(4-methoxycyclohexyl)propyl]-4-methylpiperazine
CID 170569555
1-[1-(3-methylpentyl)piperidin-4-yl]-4-propan-2-ylpiperazine
CID 177178708
4-(4-ethylcyclohexyl)oxy-1-propan-2-ylpiperidine;1-[2-(3-methylbutoxy)ethyl]-4-propan-2-ylpiperazine
CID 176986204
1-[3-[1-[3-(azetidin-3-yl)butyl]piperidin-4-yl]butyl]-4-propan-2-ylpiperazine
CID 139425550
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine (CID 175636192) is 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine is COC1CCC(C[C@@H](C)CCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine?
The InChIKey is FRTIMJCAAJZWDI-VIQWUECVSA-N. The full InChI is InChI=1S/C19H38N2O/c1-16(2)21-13-11-20(12-14-21)10-9-17(3)15-18-5-7-19(22-4)8-6-18/h16-19H,5-15H2,1-4H3/t17-,18?,19?/m0/s1.
What are the key properties of 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine?
1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine has a molecular weight of 310.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-(4-methoxycyclohexyl)-3-methylbutyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 175636192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).