N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine

C17H26N2O — CID 62580428

IUPACN-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(OCCN2CCCC(CNC3CC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-2-6-17(7-3-1)20-12-11-19-10-4-5-15(14-19)13-18-16-8-9-16/h1-3,6-7,15-16,18H,4-5,8-14H2
InChIKeyHYGJSGVPDRPKOR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds7

About N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 62580428) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID62580428
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESc1ccc(OCCN2CCCC(CNC3CC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-2-6-17(7-3-1)20-12-11-19-10-4-5-15(14-19)13-18-16-8-9-16/h1-3,6-7,15-16,18H,4-5,8-14H2
InChIKeyHYGJSGVPDRPKOR-UHFFFAOYSA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
N-[[1-(3-phenoxypropyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62937477
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-3-yl]methyl]cyclopropanamine
CID 103180319
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-N-phenylacetamide
CID 63847086
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926778
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine (CID 62580428) is N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine is c1ccc(OCCN2CCCC(CNC3CC3)C2)cc1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is HYGJSGVPDRPKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-6-17(7-3-1)20-12-11-19-10-4-5-15(14-19)13-18-16-8-9-16/h1-3,6-7,15-16,18H,4-5,8-14H2.
What are the key properties of N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 274.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-phenoxyethyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62580428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).