N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine

C17H28N2O — CID 62593626

IUPACN-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)18-14-16-8-10-19(11-9-16)12-13-20-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3
InChIKeySYIHPVYKNLGMJR-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.78
Rot. Bonds7

About N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine

N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine (PubChem CID 62593626) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
PubChem CID62593626
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C17H28N2O/c1-15(2)18-14-16-8-10-19(11-9-16)12-13-20-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3
InChIKeySYIHPVYKNLGMJR-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
1-(2-phenoxyethyl)-4-(4-phenylbutyl)piperidine;hydrochloride
CID 117067777
N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 57145177
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
N-(cyclopropylmethyl)-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54804997
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine (CID 62593626) is N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is SYIHPVYKNLGMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15(2)18-14-16-8-10-19(11-9-16)12-13-20-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3.
What are the key properties of N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine?
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 2.78, 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-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62593626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).