1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid

C20H30N2O3 — CID 56883083

IUPAC1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
SMILESCc1cccc(OC2(C(=O)O)CCN(CC3CCC(N)CC3)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-15-3-2-4-18(13-15)25-20(19(23)24)9-11-22(12-10-20)14-16-5-7-17(21)8-6-16/h2-4,13,16-17H,5-12,14,21H2,1H3,(H,23,24)
InChIKeyHDIVDOQMPTUVBA-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.81
Rot. Bonds5

About 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid

1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid (PubChem CID 56883083) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
PubChem CID56883083
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
SMILESCc1cccc(OC2(C(=O)O)CCN(CC3CCC(N)CC3)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-15-3-2-4-18(13-15)25-20(19(23)24)9-11-22(12-10-20)14-16-5-7-17(21)8-6-16/h2-4,13,16-17H,5-12,14,21H2,1H3,(H,23,24)
InChIKeyHDIVDOQMPTUVBA-UHFFFAOYSA-N
XLogP2.81
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
CID 70788551
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700
4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
CID 95862486
1-[2-(5-methyl-3,4-dihydropyrazol-2-yl)acetyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
CID 56900428
3-(3-methylphenoxy)thiolane-3-carboxylic acid
CID 82236589
4-(3-methylphenoxy)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 70711344
1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56916085
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-(2-methylphenoxy)piperidine-4-carboxylic acid
CID 95896346
4-(3-methylphenoxy)-1-(6-oxo-1H-pyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 56890009
4-(4-methylphenoxy)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 56894887
4-methyl-1-[3-(3-methylphenoxy)propyl]piperidine-4-carboxylic acid
CID 63124737
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid (CID 56883083) is 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid is Cc1cccc(OC2(C(=O)O)CCN(CC3CCC(N)CC3)CC2)c1.
What is the InChIKey of 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid?
The InChIKey is HDIVDOQMPTUVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-3-2-4-18(13-15)25-20(19(23)24)9-11-22(12-10-20)14-16-5-7-17(21)8-6-16/h2-4,13,16-17H,5-12,14,21H2,1H3,(H,23,24).
What are the key properties of 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid?
1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid has a molecular weight of 346.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 56883083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).