1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine

C20H32N2O — CID 122566362

IUPAC1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
SMILESCOCC1(CNC2CCN(Cc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H32N2O/c1-23-17-20(11-5-6-12-20)16-21-19-9-13-22(14-10-19)15-18-7-3-2-4-8-18/h2-4,7-8,19,21H,5-6,9-17H2,1H3
InChIKeyBXVRWXNQFRWWBV-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.45
Rot. Bonds7

About 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine

1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine (PubChem CID 122566362) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
PubChem CID122566362
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
SMILESCOCC1(CNC2CCN(Cc3ccccc3)CC2)CCCC1
InChIInChI=1S/C20H32N2O/c1-23-17-20(11-5-6-12-20)16-21-19-9-13-22(14-10-19)15-18-7-3-2-4-8-18/h2-4,7-8,19,21H,5-6,9-17H2,1H3
InChIKeyBXVRWXNQFRWWBV-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(1-ethylcyclobutyl)methyl]piperidin-4-amine
CID 103741195
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-N-[(1-ethylcyclopropyl)methyl]piperidin-4-amine
CID 103735414
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
1-benzyl-N-[(1-ethylcyclobutyl)methyl]pyrrolidin-3-amine
CID 103748632
(3S)-3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1-methylpyrrolidin-3-ol
CID 99777650
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
benzyl 1-[[4-[(cyclopropylamino)methyl]-4-(methoxymethyl)piperidin-1-yl]methyl]cyclobutane-1-carboxylate
CID 145259527
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-benzyl-N-butylpiperidin-4-amine
CID 11253643
1-benzyl-3-(methoxymethyl)-3-(methylperoxymethyl)pyrrolidine
CID 88891908

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine (CID 122566362) is 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine is COCC1(CNC2CCN(Cc3ccccc3)CC2)CCCC1.
What is the InChIKey of 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine?
The InChIKey is BXVRWXNQFRWWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-23-17-20(11-5-6-12-20)16-21-19-9-13-22(14-10-19)15-18-7-3-2-4-8-18/h2-4,7-8,19,21H,5-6,9-17H2,1H3.
What are the key properties of 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine?
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine has a molecular weight of 316.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine is sourced from PubChem (CID 122566362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).