1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine

C23H35N3 — CID 4848760

IUPAC1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine
SMILESCc1cc(CNC2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C
InChIInChI=1S/C23H35N3/c1-18(2)16-26-19(3)14-22(20(26)4)15-24-23-10-12-25(13-11-23)17-21-8-6-5-7-9-21/h5-9,14,18,23-24H,10-13,15-17H2,1-4H3
InChIKeyFASVFONTYDWUDW-UHFFFAOYSA-N
MW353.55 g/mol
LogP4.52
Rot. Bonds7

About 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine

1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine (PubChem CID 4848760) has the molecular formula C23H35N3 and a molecular weight of 353.55 g/mol. Its IUPAC name is 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine
PubChem CID4848760
Molecular FormulaC23H35N3
Molecular Weight353.55 g/mol
Exact Mass353.28
IUPAC Name1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine
SMILESCc1cc(CNC2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C
InChIInChI=1S/C23H35N3/c1-18(2)16-26-19(3)14-22(20(26)4)15-24-23-10-12-25(13-11-23)17-21-8-6-5-7-9-21/h5-9,14,18,23-24H,10-13,15-17H2,1-4H3
InChIKeyFASVFONTYDWUDW-UHFFFAOYSA-N
XLogP4.52
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
1-benzyl-N-(4-methylpentyl)piperidin-4-amine
CID 60744361
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
4-[[(1-benzylpiperidin-4-yl)amino]methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 9256328
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
1-benzyl-N-[(2S)-2-phenylpropyl]piperidin-4-amine
CID 1378352
1-benzyl-N-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methyl]piperidin-4-amine;dihydrochloride
CID 17159480
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614655
1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56662047

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine (CID 4848760) is 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine is Cc1cc(CNC2CCN(Cc3ccccc3)CC2)c(C)n1CC(C)C.
What is the InChIKey of 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine?
The InChIKey is FASVFONTYDWUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3/c1-18(2)16-26-19(3)14-22(20(26)4)15-24-23-10-12-25(13-11-23)17-21-8-6-5-7-9-21/h5-9,14,18,23-24H,10-13,15-17H2,1-4H3.
What are the key properties of 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine has a molecular weight of 353.55 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 4848760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).