1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C18H29ClN2O — CID 120847094

IUPAC1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(OCC3CC3)cc2)CCC1N.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-18(2)13-20(10-9-17(18)19)11-14-5-7-16(8-6-14)21-12-15-3-4-15;/h5-8,15,17H,3-4,9-13,19H2,1-2H3;1H
InChIKeyARWAYRSJJCQUJG-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.46
Rot. Bonds5

About 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120847094) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120847094
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC Name1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(OCC3CC3)cc2)CCC1N.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-18(2)13-20(10-9-17(18)19)11-14-5-7-16(8-6-14)21-12-15-3-4-15;/h5-8,15,17H,3-4,9-13,19H2,1-2H3;1H
InChIKeyARWAYRSJJCQUJG-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880
1-[[4-(difluoromethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774453
methyl 2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]phenoxy]propanoate;hydrochloride
CID 120781821
1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781441
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 120842554
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909131
3,3-dimethyl-1-[(4-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 120781709
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120847094) is 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2ccc(OCC3CC3)cc2)CCC1N.Cl.
What is the InChIKey of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is ARWAYRSJJCQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-18(2)13-20(10-9-17(18)19)11-14-5-7-16(8-6-14)21-12-15-3-4-15;/h5-8,15,17H,3-4,9-13,19H2,1-2H3;1H.
What are the key properties of 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(cyclopropylmethoxy)phenyl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120847094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).