1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine

C17H21N3 — CID 101022271

IUPAC1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine
SMILESC/C=C\c1c(N)nc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H21N3/c1-2-8-14-13-9-4-5-10-15(13)17(19-16(14)18)20-11-6-3-7-12-20/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H2,18,19)/b8-2-
InChIKeyKULWJDSQQTYTMT-WAPJZHGLSA-N
MW267.38 g/mol
LogP3.84
Rot. Bonds2

About 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine

1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine (PubChem CID 101022271) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine.

Molecular Properties

Compound Name1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine
PubChem CID101022271
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine
SMILESC/C=C\c1c(N)nc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C17H21N3/c1-2-8-14-13-9-4-5-10-15(13)17(19-16(14)18)20-11-6-3-7-12-20/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H2,18,19)/b8-2-
InChIKeyKULWJDSQQTYTMT-WAPJZHGLSA-N
XLogP3.84
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)quinazolin-2-amine
CID 80764088
4-pyrrolidin-1-ylquinazolin-2-amine
CID 57342786
1-(azetidin-1-yl)-4-(methylsulfinylmethyl)isoquinolin-3-amine
CID 170172198
1-(azepan-1-yl)-N,3-dimethylisoquinolin-4-amine
CID 82572469
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
4-(azepan-1-yl)-7-ethyl-2-[(E)-prop-1-enyl]quinazoline
CID 143244835
1-bromo-4-piperidin-1-ylphthalazine
CID 175274183
5-(azepan-1-yl)-2-methylpyrazolo[1,5-a]quinazoline-3-carbaldehyde
CID 2314079
(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
CID 68905950
4-piperidin-1-yl-1,3-benzoxazin-2-one
CID 11241695
3-[(Z)-2-naphthalen-1-ylethenyl]-2-piperidin-1-ylpyridine;hydrochloride
CID 14501349
2-piperidin-1-yl-3-(trifluoromethyl)quinoxaline
CID 4992006

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine?
The IUPAC name of 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine (CID 101022271) is 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine.
What is the SMILES notation for 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine?
The canonical SMILES for 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine is C/C=C\c1c(N)nc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine?
The InChIKey is KULWJDSQQTYTMT-WAPJZHGLSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-8-14-13-9-4-5-10-15(13)17(19-16(14)18)20-11-6-3-7-12-20/h2,4-5,8-10H,3,6-7,11-12H2,1H3,(H2,18,19)/b8-2-.
What are the key properties of 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine?
1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine has a molecular weight of 267.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-4-[(Z)-prop-1-enyl]isoquinolin-3-amine is sourced from PubChem (CID 101022271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).