1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine

C19H26N4 — CID 167920936

IUPAC1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(Cc3ccc4cnccc4c3)C2)CC1
InChIInChI=1S/C19H26N4/c20-18-4-9-23(10-5-18)19-6-8-22(14-19)13-15-1-2-17-12-21-7-3-16(17)11-15/h1-3,7,11-12,18-19H,4-6,8-10,13-14,20H2
InChIKeyHBVZGARPDNVXFH-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.23
Rot. Bonds3

About 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 167920936) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID167920936
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(Cc3ccc4cnccc4c3)C2)CC1
InChIInChI=1S/C19H26N4/c20-18-4-9-23(10-5-18)19-6-8-22(14-19)13-15-1-2-17-12-21-7-3-16(17)11-15/h1-3,7,11-12,18-19H,4-6,8-10,13-14,20H2
InChIKeyHBVZGARPDNVXFH-UHFFFAOYSA-N
XLogP2.23
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553973
(3S)-N-butyl-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-amine
CID 58080820
1-cyclopropyl-N-(isoquinolin-6-ylmethyl)piperidin-4-amine
CID 107037982
5-[(3S)-1-(isoquinolin-6-ylmethyl)piperidin-3-yl]-1,3,4-oxadiazol-2-amine
CID 164634075
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
tert-butyl N-[(3S)-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 58080852
methane;6-[[(6R)-6-methyl-1,4-diazocan-1-yl]methyl]isoquinoline
CID 159544470
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
tert-butyl N-[1-(isoquinolin-6-ylmethyl)piperidin-4-yl]carbamate
CID 58080855

Frequently Asked Questions

What is the IUPAC name of 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine (CID 167920936) is 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(Cc3ccc4cnccc4c3)C2)CC1.
What is the InChIKey of 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is HBVZGARPDNVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c20-18-4-9-23(10-5-18)19-6-8-22(14-19)13-15-1-2-17-12-21-7-3-16(17)11-15/h1-3,7,11-12,18-19H,4-6,8-10,13-14,20H2.
What are the key properties of 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 167920936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).