N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine

C18H23N3 — CID 4040204

IUPACN-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1ccc(NC2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-15-4-6-17(7-5-15)20-18-8-11-21(12-9-18)14-16-3-2-10-19-13-16/h2-7,10,13,18,20H,8-9,11-12,14H2,1H3
InChIKeyUNTXNMFPRLRYHD-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.47
Rot. Bonds4

About N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine

N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine (PubChem CID 4040204) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
PubChem CID4040204
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
SMILESCc1ccc(NC2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-15-4-6-17(7-5-15)20-18-8-11-21(12-9-18)14-16-3-2-10-19-13-16/h2-7,10,13,18,20H,8-9,11-12,14H2,1H3
InChIKeyUNTXNMFPRLRYHD-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
N-(3-fluoro-5-morpholin-4-ylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75517321
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 46963018
3-[[4-(2-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 56892936
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
N-(4-methylphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055393
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine (CID 4040204) is N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine is Cc1ccc(NC2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
The InChIKey is UNTXNMFPRLRYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15-4-6-17(7-5-15)20-18-8-11-21(12-9-18)14-16-3-2-10-19-13-16/h2-7,10,13,18,20H,8-9,11-12,14H2,1H3.
What are the key properties of N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine?
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 4040204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).