3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride

C17H29ClN4 — CID 120781479

IUPAC3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(N3CCCC3)nc2)CCC1N.Cl
InChIInChI=1S/C17H28N4.ClH/c1-17(2)13-20(10-7-15(17)18)12-14-5-6-16(19-11-14)21-8-3-4-9-21;/h5-6,11,15H,3-4,7-10,12-13,18H2,1-2H3;1H
InChIKeyHACOAGZVZSRGSP-UHFFFAOYSA-N
MW324.90 g/mol
LogP2.66
Rot. Bonds3

About 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120781479) has the molecular formula C17H29ClN4 and a molecular weight of 324.90 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120781479
Molecular FormulaC17H29ClN4
Molecular Weight324.90 g/mol
Exact Mass324.21
IUPAC Name3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(N3CCCC3)nc2)CCC1N.Cl
InChIInChI=1S/C17H28N4.ClH/c1-17(2)13-20(10-7-15(17)18)12-14-5-6-16(19-11-14)21-8-3-4-9-21;/h5-6,11,15H,3-4,7-10,12-13,18H2,1-2H3;1H
InChIKeyHACOAGZVZSRGSP-UHFFFAOYSA-N
XLogP2.66
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847094
5-[(4-phenoxypiperidin-1-yl)methyl]-2-pyrrolidin-1-ylpyridine
CID 138042107
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
5-[[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyridine
CID 75496992
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781441
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 120781422
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774951
1-ethyl-4-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]piperazine
CID 155403164
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride (CID 120781479) is 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride is CC1(C)CN(Cc2ccc(N3CCCC3)nc2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is HACOAGZVZSRGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.ClH/c1-17(2)13-20(10-7-15(17)18)12-14-5-6-16(19-11-14)21-8-3-4-9-21;/h5-6,11,15H,3-4,7-10,12-13,18H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).