(1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid

C19H30N2O2 — CID 67241240

IUPAC(1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid
SMILESCC1CCN(Cc2ccccc2)CC1CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-15-10-11-20(12-16-8-6-5-7-9-16)13-17(15)14-21(18(22)23)19(2,3)4/h5-9,15,17H,10-14H2,1-4H3,(H,22,23)
InChIKeyRXNVHIZGTLQDME-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.92
Rot. Bonds4

About (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid

(1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid (PubChem CID 67241240) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name(1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid
PubChem CID67241240
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid
SMILESCC1CCN(Cc2ccccc2)CC1CN(C(=O)O)C(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-15-10-11-20(12-16-8-6-5-7-9-16)13-17(15)14-21(18(22)23)19(2,3)4/h5-9,15,17H,10-14H2,1-4H3,(H,22,23)
InChIKeyRXNVHIZGTLQDME-UHFFFAOYSA-N
XLogP3.92
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-benzylpyrrolidin-3-yl)phenyl]methyl-tert-butylcarbamic acid
CID 54099067
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
tert-butyl (3R)-1-benzylpyrrolidine-3-carboxylate
CID 53487886
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(3R,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 70556270

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid?
The IUPAC name of (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid (CID 67241240) is (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid.
What is the SMILES notation for (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid?
The canonical SMILES for (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid is CC1CCN(Cc2ccccc2)CC1CN(C(=O)O)C(C)(C)C.
What is the InChIKey of (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid?
The InChIKey is RXNVHIZGTLQDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-10-11-20(12-16-8-6-5-7-9-16)13-17(15)14-21(18(22)23)19(2,3)4/h5-9,15,17H,10-14H2,1-4H3,(H,22,23).
What are the key properties of (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid?
(1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid has a molecular weight of 318.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpiperidin-3-yl)methyl-tert-butylcarbamic acid is sourced from PubChem (CID 67241240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).