1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine

C17H23N3 — CID 115619138

IUPAC1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1ccnc2ccccc12
InChIInChI=1S/C17H23N3/c1-13-12-20(2)10-8-16(13)19-11-14-7-9-18-17-6-4-3-5-15(14)17/h3-7,9,13,16,19H,8,10-12H2,1-2H3
InChIKeyRWCQCZWSJFGTLF-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.66
Rot. Bonds3

About 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine

1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine (PubChem CID 115619138) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
PubChem CID115619138
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1ccnc2ccccc12
InChIInChI=1S/C17H23N3/c1-13-12-20(2)10-8-16(13)19-11-14-7-9-18-17-6-4-3-5-15(14)17/h3-7,9,13,16,19H,8,10-12H2,1-2H3
InChIKeyRWCQCZWSJFGTLF-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 113338430
(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide
CID 157014449
2-propan-2-yl-N-(quinolin-4-ylmethyl)cyclohexan-1-amine
CID 78952536
1,3-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 115615373
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
2-chloro-6-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 115907050
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]pyridine-2-carbonitrile
CID 114503453
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
2,2-dimethyl-N-(quinolin-4-ylmethyl)cyclopropan-1-amine
CID 55258797
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136929322
1,3-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]piperidin-4-amine
CID 114503511
1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115615393

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine (CID 115619138) is 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine is CC1CN(C)CCC1NCc1ccnc2ccccc12.
What is the InChIKey of 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine?
The InChIKey is RWCQCZWSJFGTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-12-20(2)10-8-16(13)19-11-14-7-9-18-17-6-4-3-5-15(14)17/h3-7,9,13,16,19H,8,10-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine?
1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 115619138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).