N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine

C16H25N3O — CID 114937568

IUPACN-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CN2CCC(NCC3CC3)CC2)cn1
InChIInChI=1S/C16H25N3O/c1-20-16-5-4-14(11-18-16)12-19-8-6-15(7-9-19)17-10-13-2-3-13/h4-5,11,13,15,17H,2-3,6-10,12H2,1H3
InChIKeyQPRHDOCLQPEJAA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.05
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine (PubChem CID 114937568) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
PubChem CID114937568
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine
SMILESCOc1ccc(CN2CCC(NCC3CC3)CC2)cn1
InChIInChI=1S/C16H25N3O/c1-20-16-5-4-14(11-18-16)12-19-8-6-15(7-9-19)17-10-13-2-3-13/h4-5,11,13,15,17H,2-3,6-10,12H2,1H3
InChIKeyQPRHDOCLQPEJAA-UHFFFAOYSA-N
XLogP2.05
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine (CID 114937568) is N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine is COc1ccc(CN2CCC(NCC3CC3)CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is QPRHDOCLQPEJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-16-5-4-14(11-18-16)12-19-8-6-15(7-9-19)17-10-13-2-3-13/h4-5,11,13,15,17H,2-3,6-10,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 114937568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).