4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid

C16H28N2O3 — CID 106498556

IUPAC4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C16H28N2O3/c19-15(20)14-3-5-16(21,6-4-14)12-18-9-7-17(8-10-18)11-13-1-2-13/h13-14,21H,1-12H2,(H,19,20)
InChIKeyQYYXWSLAVQNBCR-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.02
Rot. Bonds5

About 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 106498556) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID106498556
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CN2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C16H28N2O3/c19-15(20)14-3-5-16(21,6-4-14)12-18-9-7-17(8-10-18)11-13-1-2-13/h13-14,21H,1-12H2,(H,19,20)
InChIKeyQYYXWSLAVQNBCR-UHFFFAOYSA-N
XLogP1.02
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498407
4-[(4-ethylpiperidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498528
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106670155
4-hydroxy-4-[(3-methylpyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 106498493
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498752
ethyl 4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxylate
CID 106498365
1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320
4-(ethylsulfonylmethyl)-4-hydroxycyclohexane-1-carboxylic acid
CID 106498315
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 83820985
1-(cyclopropylmethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124521
1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea
CID 138463249

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 106498556) is 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(CN2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is QYYXWSLAVQNBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(20)14-3-5-16(21,6-4-14)12-18-9-7-17(8-10-18)11-13-1-2-13/h13-14,21H,1-12H2,(H,19,20).
What are the key properties of 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).