N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

C16H32N2O — CID 102967390

IUPACN-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCOC1CCCN(CC2(CNC(C)C)CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-16(8-4-5-9-16)13-18-10-6-7-15(11-18)19-3/h14-15,17H,4-13H2,1-3H3
InChIKeyQUYHMTFYAIYAJM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 102967390) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID102967390
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCOC1CCCN(CC2(CNC(C)C)CCCC2)C1
InChIInChI=1S/C16H32N2O/c1-14(2)17-12-16(8-4-5-9-16)13-18-10-6-7-15(11-18)19-3/h14-15,17H,4-13H2,1-3H3
InChIKeyQUYHMTFYAIYAJM-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709
[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
N-[[1-[(3-methoxypiperidin-1-yl)methyl]-3-methylcyclohexyl]methyl]cyclopropanamine
CID 102967366
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-methoxypiperidine
CID 102963677
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066136

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (CID 102967390) is N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is COC1CCCN(CC2(CNC(C)C)CCCC2)C1.
What is the InChIKey of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is QUYHMTFYAIYAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(2)17-12-16(8-4-5-9-16)13-18-10-6-7-15(11-18)19-3/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 102967390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).