cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone

C16H22N2O2 — CID 43747864

IUPACcyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2ccccc2O)CC1
InChIInChI=1S/C16H22N2O2/c19-15-4-2-1-3-13(15)11-17-14-7-9-18(10-8-14)16(20)12-5-6-12/h1-4,12,14,17,19H,5-11H2
InChIKeyLZWVUIVROKHSIA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.88
Rot. Bonds4

About cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone (PubChem CID 43747864) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
PubChem CID43747864
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namecyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2ccccc2O)CC1
InChIInChI=1S/C16H22N2O2/c19-15-4-2-1-3-13(15)11-17-14-7-9-18(10-8-14)16(20)12-5-6-12/h1-4,12,14,17,19H,5-11H2
InChIKeyLZWVUIVROKHSIA-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434750
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
cyclopropyl-[4-[(4-methoxynaphthalen-1-yl)methylamino]piperidin-1-yl]methanone
CID 56808713
N-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-(2-hydroxyphenyl)acetamide
CID 97014157
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
[1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-piperidin-1-ylmethanone
CID 7297487
cyclopropyl-[4-(2-phenylpropylamino)piperidin-1-yl]methanone
CID 43434778

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone (CID 43747864) is cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCc2ccccc2O)CC1.
What is the InChIKey of cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone?
The InChIKey is LZWVUIVROKHSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-4-2-1-3-13(15)11-17-14-7-9-18(10-8-14)16(20)12-5-6-12/h1-4,12,14,17,19H,5-11H2.
What are the key properties of cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 43747864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).