2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol

C13H28N2O — CID 63241892

IUPAC2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCC(C)NCC1CCCN(CC(C)(C)O)C1
InChIInChI=1S/C13H28N2O/c1-11(2)14-8-12-6-5-7-15(9-12)10-13(3,4)16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWTWMFEZFMRVSCI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds5

About 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol

2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol (PubChem CID 63241892) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
PubChem CID63241892
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
SMILESCC(C)NCC1CCCN(CC(C)(C)O)C1
InChIInChI=1S/C13H28N2O/c1-11(2)14-8-12-6-5-7-15(9-12)10-13(3,4)16/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWTWMFEZFMRVSCI-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
N-[[1-(cyclopentylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580792
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
CID 63241433
N-[[1-(2,2-difluoroethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62580790
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-2-amine
CID 62581880
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-[[1-(2,2-difluoro-2-phenylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 116789672
N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 82891574
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
N-[(1-decylpiperidin-3-yl)methyl]propan-2-amine
CID 63405022
2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496386
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol (CID 63241892) is 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol is CC(C)NCC1CCCN(CC(C)(C)O)C1.
What is the InChIKey of 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is WTWMFEZFMRVSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)14-8-12-6-5-7-15(9-12)10-13(3,4)16/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol?
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63241892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).