N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

C16H27N3 — CID 106621945

IUPACN-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCc1ccncc1CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C16H27N3/c1-13(2)19(12-16-6-4-5-8-18-16)11-15-10-17-9-7-14(15)3/h7,9-10,13,16,18H,4-6,8,11-12H2,1-3H3
InChIKeyQTRAGROSFWORHH-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.74
Rot. Bonds5

About N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine

N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106621945) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106621945
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCc1ccncc1CN(CC1CCCCN1)C(C)C
InChIInChI=1S/C16H27N3/c1-13(2)19(12-16-6-4-5-8-18-16)11-15-10-17-9-7-14(15)3/h7,9-10,13,16,18H,4-6,8,11-12H2,1-3H3
InChIKeyQTRAGROSFWORHH-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603786
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-(piperidin-2-ylmethyl)-N-(1-pyridin-4-ylethyl)propan-2-amine
CID 106622229
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
3-(piperidin-2-ylmethyl)-4-propan-2-ylpyridine
CID 115009220
N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604263
N-methyl-N-(piperidin-2-ylmethyl)-1-pyridin-4-ylethanamine
CID 106623108

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106621945) is N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is Cc1ccncc1CN(CC1CCCCN1)C(C)C.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is QTRAGROSFWORHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)19(12-16-6-4-5-8-18-16)11-15-10-17-9-7-14(15)3/h7,9-10,13,16,18H,4-6,8,11-12H2,1-3H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106621945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).