N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine

C16H27N3 — CID 55256674

IUPACN-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C16H27N3/c1-4-9-17-14(3)15-7-10-19(11-8-15)16-6-5-13(2)12-18-16/h5-6,12,14-15,17H,4,7-11H2,1-3H3
InChIKeyFIVHGHXOLCGWKD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.99
Rot. Bonds5

About N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine

N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine (PubChem CID 55256674) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
PubChem CID55256674
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C16H27N3/c1-4-9-17-14(3)15-7-10-19(11-8-15)16-6-5-13(2)12-18-16/h5-6,12,14-15,17H,4,7-11H2,1-3H3
InChIKeyFIVHGHXOLCGWKD-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine (CID 55256674) is N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine is CCCNC(C)C1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
The InChIKey is FIVHGHXOLCGWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-9-17-14(3)15-7-10-19(11-8-15)16-6-5-13(2)12-18-16/h5-6,12,14-15,17H,4,7-11H2,1-3H3.
What are the key properties of N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine?
N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 55256674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).