N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine

C17H26ClN3O — CID 95901063

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(Cl)nc1)C1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C17H26ClN3O/c1-20(11-14-2-3-17(18)19-10-14)16-4-7-21(8-5-16)12-15-6-9-22-13-15/h2-3,10,15-16H,4-9,11-13H2,1H3/t15-/m0/s1
InChIKeyIAWNHYTVPQXJNI-HNNXBMFYSA-N
MW323.87 g/mol
LogP2.67
Rot. Bonds5

About N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine

N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine (PubChem CID 95901063) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
PubChem CID95901063
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
SMILESCN(Cc1ccc(Cl)nc1)C1CCN(C[C@@H]2CCOC2)CC1
InChIInChI=1S/C17H26ClN3O/c1-20(11-14-2-3-17(18)19-10-14)16-4-7-21(8-5-16)12-15-6-9-22-13-15/h2-3,10,15-16H,4-9,11-13H2,1H3/t15-/m0/s1
InChIKeyIAWNHYTVPQXJNI-HNNXBMFYSA-N
XLogP2.67
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 95901064
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 96512243
5-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]pyridin-2-amine
CID 55046277
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-methyloxolan-3-amine
CID 82743836
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
6-chloro-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 133305195
5-methyl-2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 75484483
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine (CID 95901063) is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine is CN(Cc1ccc(Cl)nc1)C1CCN(C[C@@H]2CCOC2)CC1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
The InChIKey is IAWNHYTVPQXJNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-20(11-14-2-3-17(18)19-10-14)16-4-7-21(8-5-16)12-15-6-9-22-13-15/h2-3,10,15-16H,4-9,11-13H2,1H3/t15-/m0/s1.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine?
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine has a molecular weight of 323.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 95901063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).