N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine

C17H29N3O — CID 67429738

IUPACN-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine
SMILESCC(C)NC1CCN(Cc2cnccc2OC(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-13(2)19-16-6-9-20(10-7-16)12-15-11-18-8-5-17(15)21-14(3)4/h5,8,11,13-14,16,19H,6-7,9-10,12H2,1-4H3
InChIKeyWJWBIIKFABRMJA-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.83
Rot. Bonds6

About N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine

N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine (PubChem CID 67429738) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine
PubChem CID67429738
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine
SMILESCC(C)NC1CCN(Cc2cnccc2OC(C)C)CC1
InChIInChI=1S/C17H29N3O/c1-13(2)19-16-6-9-20(10-7-16)12-15-11-18-8-5-17(15)21-14(3)4/h5,8,11,13-14,16,19H,6-7,9-10,12H2,1-4H3
InChIKeyWJWBIIKFABRMJA-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine (CID 67429738) is N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine is CC(C)NC1CCN(Cc2cnccc2OC(C)C)CC1.
What is the InChIKey of N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is WJWBIIKFABRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)19-16-6-9-20(10-7-16)12-15-11-18-8-5-17(15)21-14(3)4/h5,8,11,13-14,16,19H,6-7,9-10,12H2,1-4H3.
What are the key properties of N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine?
N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[(4-propan-2-yloxy-3-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 67429738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).