N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine

C15H28N2O — CID 62065814

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CNCC1CCC=CO1)CN1CCCCC1
InChIInChI=1S/C15H28N2O/c1-14(13-17-8-4-2-5-9-17)11-16-12-15-7-3-6-10-18-15/h6,10,14-16H,2-5,7-9,11-13H2,1H3
InChIKeyRUGMSCFJVAYEGJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.39
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 62065814) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
PubChem CID62065814
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
SMILESCC(CNCC1CCC=CO1)CN1CCCCC1
InChIInChI=1S/C15H28N2O/c1-14(13-17-8-4-2-5-9-17)11-16-12-15-7-3-6-10-18-15/h6,10,14-16H,2-5,7-9,11-13H2,1H3
InChIKeyRUGMSCFJVAYEGJ-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957463
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CID 55136389
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62064917
N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
CID 115255377
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
(2R)-1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 106932098
1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375
2-methyl-3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63770721
N-(2-methyl-3-piperidin-1-ylpropyl)formamide
CID 64992840
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine (CID 62065814) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine is CC(CNCC1CCC=CO1)CN1CCCCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is RUGMSCFJVAYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-14(13-17-8-4-2-5-9-17)11-16-12-15-7-3-6-10-18-15/h6,10,14-16H,2-5,7-9,11-13H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 62065814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).