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

C19H29N5 — CID 72919298

IUPACN,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine
SMILESCc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)ccn1
InChIInChI=1S/C19H29N5/c1-16-15-18(5-8-20-16)23-12-6-17(7-13-23)19-21-9-14-24(19)11-4-10-22(2)3/h5,8-9,14-15,17H,4,6-7,10-13H2,1-3H3
InChIKeyWGXJXAWMBBPNIK-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.92
Rot. Bonds6

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

N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine (PubChem CID 72919298) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine
PubChem CID72919298
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC NameN,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine
SMILESCc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)ccn1
InChIInChI=1S/C19H29N5/c1-16-15-18(5-8-20-16)23-12-6-17(7-13-23)19-21-9-14-24(19)11-4-10-22(2)3/h5,8-9,14-15,17H,4,6-7,10-13H2,1-3H3
InChIKeyWGXJXAWMBBPNIK-UHFFFAOYSA-N
XLogP2.92
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine (CID 72919298) is N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine is Cc1cc(N2CCC(c3nccn3CCCN(C)C)CC2)ccn1.
What is the InChIKey of N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
The InChIKey is WGXJXAWMBBPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5/c1-16-15-18(5-8-20-16)23-12-6-17(7-13-23)19-21-9-14-24(19)11-4-10-22(2)3/h5,8-9,14-15,17H,4,6-7,10-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine has a molecular weight of 327.48 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 72919298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).