N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride

C12H27ClN2O — CID 119914636

IUPACN-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(CCOC(C)C)C1.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-11(2)15-8-7-14-6-4-5-12(10-14)9-13-3;/h11-13H,4-10H2,1-3H3;1H
InChIKeyRZNXIKBLZAIULV-UHFFFAOYSA-N
MW250.81 g/mol
LogP1.76
Rot. Bonds6

About N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119914636) has the molecular formula C12H27ClN2O and a molecular weight of 250.81 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
PubChem CID119914636
Molecular FormulaC12H27ClN2O
Molecular Weight250.81 g/mol
Exact Mass250.18
IUPAC NameN-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride
SMILESCNCC1CCCN(CCOC(C)C)C1.Cl
InChIInChI=1S/C12H26N2O.ClH/c1-11(2)15-8-7-14-6-4-5-12(10-14)9-13-3;/h11-13H,4-10H2,1-3H3;1H
InChIKeyRZNXIKBLZAIULV-UHFFFAOYSA-N
XLogP1.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.81
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922056
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
2-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]acetic acid
CID 62689073
1-methyl-4-[2-[3-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]propoxy]ethyl]piperazine
CID 153398953
1-(1-but-3-ynylpiperidin-3-yl)-N-methylmethanamine
CID 61204024
3-[3-(methylaminomethyl)piperidin-1-yl]propanal
CID 63041305
1-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 42254173
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654
1-[1-[2-(1-adamantyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61206248
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride (CID 119914636) is N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride is CNCC1CCCN(CCOC(C)C)C1.Cl.
What is the InChIKey of N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is RZNXIKBLZAIULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.ClH/c1-11(2)15-8-7-14-6-4-5-12(10-14)9-13-3;/h11-13H,4-10H2,1-3H3;1H.
What are the key properties of N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 250.81 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119914636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).