1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine

C15H23ClN4 — CID 80553973

IUPAC1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(Cc3ccncc3Cl)C2)CC1
InChIInChI=1S/C15H23ClN4/c16-15-9-18-5-1-12(15)10-19-6-4-14(11-19)20-7-2-13(17)3-8-20/h1,5,9,13-14H,2-4,6-8,10-11,17H2
InChIKeyVFFZGTVOVIQBDV-UHFFFAOYSA-N
MW294.83 g/mol
LogP1.73
Rot. Bonds3

About 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine

1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553973) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553973
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(Cc3ccncc3Cl)C2)CC1
InChIInChI=1S/C15H23ClN4/c16-15-9-18-5-1-12(15)10-19-6-4-14(11-19)20-7-2-13(17)3-8-20/h1,5,9,13-14H,2-4,6-8,10-11,17H2
InChIKeyVFFZGTVOVIQBDV-UHFFFAOYSA-N
XLogP1.73
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682329
1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 167920936
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
CID 71906954
1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 112641611
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421
4-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 106838415
2-[(3-methyl-4-pyridinyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 114702040
N-[[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56749033

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine (CID 80553973) is 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(Cc3ccncc3Cl)C2)CC1.
What is the InChIKey of 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is VFFZGTVOVIQBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c16-15-9-18-5-1-12(15)10-19-6-4-14(11-19)20-7-2-13(17)3-8-20/h1,5,9,13-14H,2-4,6-8,10-11,17H2.
What are the key properties of 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 294.83 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).