2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile

C14H27N3 — CID 62204880

IUPAC2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCN(CC(C#N)NC(C)C)CC1
InChIInChI=1S/C14H27N3/c1-4-5-13-6-8-17(9-7-13)11-14(10-15)16-12(2)3/h12-14,16H,4-9,11H2,1-3H3
InChIKeyPAAISSDNFNTFLS-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds6

About 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile

2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile (PubChem CID 62204880) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
PubChem CID62204880
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile
SMILESCCCC1CCN(CC(C#N)NC(C)C)CC1
InChIInChI=1S/C14H27N3/c1-4-5-13-6-8-17(9-7-13)11-14(10-15)16-12(2)3/h12-14,16H,4-9,11H2,1-3H3
InChIKeyPAAISSDNFNTFLS-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 16227099
CID 16227099
CID 3052885
CID 3052885
CID 12700153
CID 12700153
CID 64833232
CID 64833232
CID 398330
CID 398330
CID 796165
CID 796165
CID 9397977
CID 9397977
CID 16641456
CID 16641456
CID 16783223
CID 16783223
CID 16794632
CID 16794632
CID 124575153
CID 124575153
CID 146050352
CID 146050352

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
The IUPAC name of 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile (CID 62204880) is 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile.
What is the SMILES notation for 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
The canonical SMILES for 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile is CCCC1CCN(CC(C#N)NC(C)C)CC1.
What is the InChIKey of 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
The InChIKey is PAAISSDNFNTFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-5-13-6-8-17(9-7-13)11-14(10-15)16-12(2)3/h12-14,16H,4-9,11H2,1-3H3.
What are the key properties of 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile?
2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)propanenitrile is sourced from PubChem (CID 62204880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).