N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

C16H27N3 — CID 81248433

IUPACN-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1N1CCCC(C)C1C
InChIInChI=1S/C16H27N3/c1-4-8-17-11-15-12-18-9-7-16(15)19-10-5-6-13(2)14(19)3/h7,9,12-14,17H,4-6,8,10-11H2,1-3H3
InChIKeyYTNPKKOFEWCEOW-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.21
Rot. Bonds5

About N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine

N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 81248433) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID81248433
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1N1CCCC(C)C1C
InChIInChI=1S/C16H27N3/c1-4-8-17-11-15-12-18-9-7-16(15)19-10-5-6-13(2)14(19)3/h7,9,12-14,17H,4-6,8,10-11H2,1-3H3
InChIKeyYTNPKKOFEWCEOW-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anabasine
CID 205586
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Paraquat
CID 15939
Rivanicline
CID 5310967
Lanicemine
CID 9794203
(-)-Anatabine
CID 11388
4-[2-(1-Piperidinyl)ethyl]pyridine
CID 83476
(R)-Nornicotine
CID 93047
N-Methylpyridine-4-methylamine
CID 81436
4-(4-(Dimethylamino)styryl)-1-methylpyridinium iodide
CID 5333955

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine (CID 81248433) is N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1N1CCCC(C)C1C.
What is the InChIKey of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is YTNPKKOFEWCEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-8-17-11-15-12-18-9-7-16(15)19-10-5-6-13(2)14(19)3/h7,9,12-14,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine?
N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dimethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 81248433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).