N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline

C18H30N2 — CID 63421140

IUPACN-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCC2CCCCN2C)cc1
InChIInChI=1S/C18H30N2/c1-3-4-5-8-16-10-12-17(13-11-16)19-15-18-9-6-7-14-20(18)2/h10-13,18-19H,3-9,14-15H2,1-2H3
InChIKeyLPOZHGVDVBLDIL-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.32
Rot. Bonds7

About N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline

N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline (PubChem CID 63421140) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
PubChem CID63421140
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
SMILESCCCCCc1ccc(NCC2CCCCN2C)cc1
InChIInChI=1S/C18H30N2/c1-3-4-5-8-16-10-12-17(13-11-16)19-15-18-9-6-7-14-20(18)2/h10-13,18-19H,3-9,14-15H2,1-2H3
InChIKeyLPOZHGVDVBLDIL-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methylpiperidin-3-yl)methyl]-4-pentylaniline
CID 62654693
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 112721063
4-ethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 62414895
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62655654
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243
2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107700090
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
4-butyl-N-(oxan-2-ylmethyl)aniline
CID 43403485
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline?
The IUPAC name of N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline (CID 63421140) is N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline.
What is the SMILES notation for N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline?
The canonical SMILES for N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline is CCCCCc1ccc(NCC2CCCCN2C)cc1.
What is the InChIKey of N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline?
The InChIKey is LPOZHGVDVBLDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-5-8-16-10-12-17(13-11-16)19-15-18-9-6-7-14-20(18)2/h10-13,18-19H,3-9,14-15H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline?
N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline has a molecular weight of 274.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline is sourced from PubChem (CID 63421140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).