3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride

C17H29ClN2O — CID 120781439

IUPAC3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCCCOc1cccc(CN2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-10-20-15-7-5-6-14(11-15)12-19-9-8-16(18)17(2,3)13-19;/h5-7,11,16H,4,8-10,12-13,18H2,1-3H3;1H
InChIKeyDRLFPNBZBJQUTI-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.46
Rot. Bonds5

About 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120781439) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120781439
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCCCOc1cccc(CN2CCC(N)C(C)(C)C2)c1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-4-10-20-15-7-5-6-14(11-15)12-19-9-8-16(18)17(2,3)13-19;/h5-7,11,16H,4,8-10,12-13,18H2,1-3H3;1H
InChIKeyDRLFPNBZBJQUTI-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781917
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
1-[(3-ethoxy-4-propoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781441
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
3,3-dimethyl-1-(2-naphthalen-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 120775156
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride (CID 120781439) is 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride is CCCOc1cccc(CN2CCC(N)C(C)(C)C2)c1.Cl.
What is the InChIKey of 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is DRLFPNBZBJQUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-4-10-20-15-7-5-6-14(11-15)12-19-9-8-16(18)17(2,3)13-19;/h5-7,11,16H,4,8-10,12-13,18H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 312.89 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 3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).