N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine

C15H24N4O — CID 62386502

IUPACN-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
SMILESc1cnc(N2CCCC(NCC3CCOCC3)C2)nc1
InChIInChI=1S/C15H24N4O/c1-3-14(18-11-13-4-9-20-10-5-13)12-19(8-1)15-16-6-2-7-17-15/h2,6-7,13-14,18H,1,3-5,8-12H2
InChIKeyQIOXJXOKPOXIBF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.46
Rot. Bonds4

About N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine

N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 62386502) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID62386502
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
SMILESc1cnc(N2CCCC(NCC3CCOCC3)C2)nc1
InChIInChI=1S/C15H24N4O/c1-3-14(18-11-13-4-9-20-10-5-13)12-19(8-1)15-16-6-2-7-17-15/h2,6-7,13-14,18H,1,3-5,8-12H2
InChIKeyQIOXJXOKPOXIBF-UHFFFAOYSA-N
XLogP1.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
1-[[(3S)-oxolan-3-yl]methyl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94124298
(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
CID 99853750
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45205688
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581
N-cyclohexyl-1-pyrimidin-2-ylpiperidin-3-amine
CID 43728828
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
N-(3-methoxy-2-methylpropyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 116501051
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine (CID 62386502) is N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine is c1cnc(N2CCCC(NCC3CCOCC3)C2)nc1.
What is the InChIKey of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is QIOXJXOKPOXIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-14(18-11-13-4-9-20-10-5-13)12-19(8-1)15-16-6-2-7-17-15/h2,6-7,13-14,18H,1,3-5,8-12H2.
What are the key properties of N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine?
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 62386502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).