4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile

C18H25N3 — CID 115306976

IUPAC4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile
SMILESCC(c1ccc(C#N)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25N3/c1-14(17-6-4-15(12-19)5-7-17)21-10-8-18(9-11-21)20-13-16-2-3-16/h4-7,14,16,18,20H,2-3,8-11,13H2,1H3
InChIKeyUDYHBVPUUQZAPA-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.08
Rot. Bonds5

About 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile

4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile (PubChem CID 115306976) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile
PubChem CID115306976
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile
SMILESCC(c1ccc(C#N)cc1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25N3/c1-14(17-6-4-15(12-19)5-7-17)21-10-8-18(9-11-21)20-13-16-2-3-16/h4-7,14,16,18,20H,2-3,8-11,13H2,1H3
InChIKeyUDYHBVPUUQZAPA-UHFFFAOYSA-N
XLogP3.08
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile?
The IUPAC name of 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile (CID 115306976) is 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile.
What is the SMILES notation for 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile?
The canonical SMILES for 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile is CC(c1ccc(C#N)cc1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile?
The InChIKey is UDYHBVPUUQZAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14(17-6-4-15(12-19)5-7-17)21-10-8-18(9-11-21)20-13-16-2-3-16/h4-7,14,16,18,20H,2-3,8-11,13H2,1H3.
What are the key properties of 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile?
4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile has a molecular weight of 283.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile is sourced from PubChem (CID 115306976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).