[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid

C12H23N3O2 — CID 174235468

IUPAC[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C12H23N3O2/c16-12(17)14-11-3-1-10(2-4-11)9-15-7-5-13-6-8-15/h10-11,13-14H,1-9H2,(H,16,17)
InChIKeyNZPSXJLKCYSWDR-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.72
Rot. Bonds3

About [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid

[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid (PubChem CID 174235468) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid
PubChem CID174235468
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CN2CCNCC2)CC1
InChIInChI=1S/C12H23N3O2/c16-12(17)14-11-3-1-10(2-4-11)9-15-7-5-13-6-8-15/h10-11,13-14H,1-9H2,(H,16,17)
InChIKeyNZPSXJLKCYSWDR-UHFFFAOYSA-N
XLogP0.72
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid
CID 68558693
methyl 4-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 82511495
3-[4-(cyclopropylmethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 62543259
[4-(iodomethyl)cyclohexyl]carbamic acid
CID 89239782
1-(cyclohexylmethyl)piperazine;hydrobromide
CID 71323423
1-(cyclohexylmethyl)piperazine;piperazine
CID 66986907
N-(4-ethylcyclohexyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548807
3-(piperazin-1-ylmethyl)piperidine-1-carboxylic acid
CID 68707014
(2S)-N-cyclopentyl-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propanamide
CID 124612749
[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 20729705
[(3S)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 89477249
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998

Frequently Asked Questions

What is the IUPAC name of [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid?
The IUPAC name of [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid (CID 174235468) is [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid is O=C(O)NC1CCC(CN2CCNCC2)CC1.
What is the InChIKey of [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid?
The InChIKey is NZPSXJLKCYSWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-12(17)14-11-3-1-10(2-4-11)9-15-7-5-13-6-8-15/h10-11,13-14H,1-9H2,(H,16,17).
What are the key properties of [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid?
[4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid has a molecular weight of 241.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperazin-1-ylmethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 174235468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).